3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester
TL;DR: 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester (CAS 99998-10-4) is a chemical compound with molecular formula C20H26N2O4 and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[1-(2-ethoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoate
Also Known As: 3-(1-ETHOXYCARBONYLMETHYL-1,3,4,9-4H-BETA-CARBOLIN-2-YL)-PROPIONIC ACID ET ESTER, ethyl 3-[1-(2-ethoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoate, 684-932-9, RefChem:489463
| Molecular Formula | C20H26N2O4 |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 2.9735 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.18927 |
| Heavy Atoms | 26 |
| Complexity | 783.2092 |
Chemical Identifiers
| CAS Number | 99998-10-4 |
|---|---|
| SMILES | CCOC(=O)CCN1CCC2=C(C1CC(=O)OCC)NC3=CC=CC=C23 |
Product Overview
3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester (CAS 99998-10-4), with molecular formula C20H26N2O4 and molecular weight 358.19 g/mol. IUPAC: ethyl 3-[1-(2-ethoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoate.
Chemical Property Profile of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester
Property Insights of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester
The XLogP value of 2.9735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester. Following Lipinski's Rule of Five, 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester?
The CAS number of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester is 99998-10-4.
What is the molecular formula of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester?
The molecular formula of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester is C20H26N2O4.
What is the molecular weight of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester?
The molecular weight of 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester is 358.19 g/mol.
Where can I buy 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester?
You can request a quote for 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Ethoxycarbonylmethyl-1,3,4,9-4H-beta-carbolin-2-YL)-propionic acid ET ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.